iterations/neb0_image04_iter125_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.369901448117E+03 0.36990E+03 -0.14314E+04 632 0.799E+02
DAV: 2 0.380881479413E+01 -0.36609E+03 -0.35417E+03 858 0.195E+02
DAV: 3 -0.955539256656E+02 -0.99363E+02 -0.99048E+02 685 0.116E+02
DAV: 4 -0.999096433007E+02 -0.43557E+01 -0.43446E+01 704 0.277E+01
DAV: 5 -0.999938006504E+02 -0.84157E-01 -0.84117E-01 728 0.348E+00 0.222E+01
DAV: 6 -0.914538272777E+02 0.85400E+01 -0.30144E+01 693 0.295E+01 0.116E+01
DAV: 7 -0.905985664032E+02 0.85526E+00 -0.17543E+00 720 0.627E+00 0.479E+00
DAV: 8 -0.901997209056E+02 0.39885E+00 -0.55600E-01 712 0.421E+00 0.164E+00
DAV: 9 -0.901054119366E+02 0.94309E-01 -0.13221E-01 720 0.176E+00 0.442E-01
DAV: 10 -0.900957130039E+02 0.96989E-02 -0.58544E-02 712 0.141E+00 0.354E-01
DAV: 11 -0.900998895731E+02 -0.41766E-02 -0.16568E-02 632 0.776E-01 0.156E-01
DAV: 12 -0.901009968208E+02 -0.11072E-02 -0.48101E-03 634 0.345E-01 0.141E-01
DAV: 13 -0.901044890608E+02 -0.34922E-02 -0.37728E-03 834 0.466E-01 0.806E-02
DAV: 14 -0.901081287473E+02 -0.36397E-02 -0.13031E-03 650 0.188E-01 0.652E-02
DAV: 15 -0.901104605399E+02 -0.23318E-02 -0.41918E-04 744 0.125E-01 0.333E-02
DAV: 16 -0.901119239837E+02 -0.14634E-02 -0.35207E-04 685 0.100E-01 0.254E-02
DAV: 17 -0.901130432822E+02 -0.11193E-02 -0.13615E-04 655 0.605E-02 0.172E-02
DAV: 18 -0.901134359920E+02 -0.39271E-03 -0.55818E-05 669 0.336E-02 0.831E-03
DAV: 19 -0.901136036239E+02 -0.16763E-03 -0.26218E-05 517 0.260E-02 0.418E-03
DAV: 20 -0.901136498332E+02 -0.46209E-04 -0.39340E-06 480 0.111E-02 0.372E-03
DAV: 21 -0.901136767021E+02 -0.26869E-04 -0.47362E-06 428 0.101E-02 0.268E-03
DAV: 22 -0.901136835430E+02 -0.68409E-05 -0.11139E-06 493 0.747E-03
1 F= -.90113684E+02 E0= -.90117893E+02 d E =0.126297E-01